N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide

C12H13BrN2O2S — CID 103580550

IUPACN-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C12H13BrN2O2S/c13-11-7-9(8-14)5-6-12(11)15-18(16,17)10-3-1-2-4-10/h5-7,10,15H,1-4H2
InChIKeyGGJPZGZHDPYTGZ-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.01
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide

N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide (PubChem CID 103580550) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
PubChem CID103580550
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC NameN-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C12H13BrN2O2S/c13-11-7-9(8-14)5-6-12(11)15-18(16,17)10-3-1-2-4-10/h5-7,10,15H,1-4H2
InChIKeyGGJPZGZHDPYTGZ-UHFFFAOYSA-N
XLogP3.01
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
CID 61066206
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
N-(2-bromo-4-cyanophenyl)-1-cyclopropylmethanesulfonamide
CID 107796761
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
N-[2-(4-cyano-2-fluoroanilino)-3,4-difluorophenyl]cyclopropanesulfonamide
CID 59386353

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide (CID 103580550) is N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide is N#Cc1ccc(NS(=O)(=O)C2CCCC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide?
The InChIKey is GGJPZGZHDPYTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c13-11-7-9(8-14)5-6-12(11)15-18(16,17)10-3-1-2-4-10/h5-7,10,15H,1-4H2.
What are the key properties of N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide?
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide is sourced from PubChem (CID 103580550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).